MFV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.25Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| CA3 | C3 | sing | 1.51Å | 1.45Å | |
| CA3 | N3 | sing | 1.47Å | 1.45Å | |
| C2 | N3 | sing | 1.35Å | 1.41Å | |
| C2 | CA2 | sing | 1.47Å | 1.48Å | |
| N3 | C1 | sing | 1.37Å | 1.42Å | |
| N1 | CA1 | sing | 1.47Å | 1.44Å | |
| CA2 | CB2 | doub | 1.38Å | 1.38Å | |
| CA2 | N2 | sing | 1.37Å | 1.38Å | |
| CB2 | CG2 | sing | 1.46Å | 1.42Å | |
| C1 | N2 | doub | 1.30Å | 1.32Å | |
| C1 | CA1 | sing | 1.51Å | 1.48Å | |
| CD2 | CG2 | sing | 1.40Å | 1.45Å | Aromatic |
| CD2 | CE2 | doub | 1.37Å | 1.40Å | Aromatic |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CG2 | CD1 | doub | 1.40Å | 1.50Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.49Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CB1 | OG1 | sing | 1.43Å | 1.43Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CZ | CE1 | doub | 1.39Å | 1.47Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.27Å | |
| CE1 | CS | sing | 1.51Å | 1.51Å | |
| C3 | OXT | sing | 1.34Å | 1.34Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | H5 | sing | 1.09Å | 1.10Å | |
| CG1 | H6 | sing | 1.09Å | 1.10Å | |
| CG1 | H7 | sing | 1.09Å | 1.10Å | |
| CG1 | H8 | sing | 1.09Å | 1.10Å | |
| OG1 | H9 | sing | 0.97Å | 0.95Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | H12 | sing | 1.08Å | 1.08Å | |
| CD1 | H14 | sing | 1.08Å | 1.08Å | |
| CD2 | H15 | sing | 1.08Å | 1.08Å | |
| CE2 | H16 | sing | 1.08Å | 1.08Å | |
| CS | H17 | sing | 1.09Å | 1.10Å | |
| CS | H18 | sing | 1.09Å | 1.10Å | |
| CS | H19 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OH | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 119.9° | 120.0° |
| O3 | C3 | OXT | 128.7° | 120.0° |
| O2 | C2 | N3 | 122.0° | 127.4° |
| O2 | C2 | CA2 | 134.9° | 127.4° |
| C3 | CA3 | N3 | 120.7° | 109.5° |
| CA3 | C3 | OXT | 111.3° | 120.0° |
| C3 | CA3 | HA31 | 106.6° | 109.5° |
| C3 | CA3 | HA32 | 106.6° | 109.5° |
| CA3 | N3 | C2 | 125.3° | 125.8° |
| CA3 | N3 | C1 | 127.4° | 125.8° |
| N3 | CA3 | HA31 | 106.6° | 109.4° |
| N3 | CA3 | HA32 | 106.6° | 109.5° |
| N3 | C2 | CA2 | 103.1° | 105.2° |
| C2 | N3 | C1 | 107.3° | 108.3° |
| C2 | CA2 | CB2 | 121.4° | 127.1° |
| C2 | CA2 | N2 | 110.3° | 105.8° |
| N3 | C1 | N2 | 112.4° | 111.4° |
| N3 | C1 | CA1 | 121.5° | 124.3° |
| N1 | CA1 | C1 | 105.6° | 109.5° |
| N1 | CA1 | CB1 | 112.6° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.4° | 111.0° |
| N1 | CA1 | HA1 | 109.6° | 109.5° |
| CB2 | CA2 | N2 | 128.3° | 127.1° |
| CA2 | CB2 | CG2 | 132.7° | 120.0° |
| CA2 | CB2 | H12 | 113.7° | 120.0° |
| CA2 | N2 | C1 | 106.9° | 109.3° |
| CB2 | CG2 | CD2 | 120.1° | 120.1° |
| CB2 | CG2 | CD1 | 121.5° | 120.2° |
| CG2 | CB2 | H12 | 113.7° | 120.0° |
| N2 | C1 | CA1 | 126.1° | 124.3° |
| C1 | CA1 | CB1 | 111.9° | 109.5° |
| C1 | CA1 | HA1 | 109.0° | 109.5° |
| CG2 | CD2 | CE2 | 120.6° | 120.0° |
| CD2 | CG2 | CD1 | 118.4° | 119.7° |
| CG2 | CD2 | H15 | 119.7° | 120.0° |
| CD2 | CE2 | CZ | 122.0° | 120.3° |
| CE2 | CD2 | H15 | 119.7° | 120.0° |
| CD2 | CE2 | H16 | 119.0° | 119.9° |
| CA1 | CB1 | OG1 | 113.0° | 109.4° |
| CA1 | CB1 | CG1 | 112.4° | 109.5° |
| CB1 | CA1 | HA1 | 108.1° | 109.4° |
| CA1 | CB1 | H5 | 106.9° | 109.5° |
| CG2 | CD1 | CE1 | 120.7° | 119.8° |
| CG2 | CD1 | H14 | 119.6° | 120.1° |
| CE2 | CZ | CE1 | 117.1° | 120.2° |
| CE2 | CZ | OH | 119.5° | 119.9° |
| CZ | CE2 | H16 | 119.0° | 119.8° |
| CD1 | CE1 | CZ | 121.1° | 120.0° |
| CD1 | CE1 | CS | 119.5° | 120.0° |
| CE1 | CD1 | H14 | 119.7° | 120.1° |
| OG1 | CB1 | CG1 | 108.9° | 109.5° |
| OG1 | CB1 | H5 | 108.4° | 109.4° |
| CB1 | OG1 | H9 | 109.5° | 114.0° |
| CG1 | CB1 | H5 | 107.1° | 109.5° |
| CB1 | CG1 | H6 | 109.5° | 109.4° |
| CB1 | CG1 | H7 | 109.5° | 109.5° |
| CB1 | CG1 | H8 | 109.5° | 109.4° |
| CE1 | CZ | OH | 123.4° | 119.9° |
| CZ | CE1 | CS | 119.4° | 120.0° |
| CZ | OH | H3 | 109.5° | 114.0° |
| CE1 | CS | H17 | 109.5° | 109.4° |
| CE1 | CS | H18 | 109.5° | 109.5° |
| CE1 | CS | H19 | 109.5° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H | N1 | H2 | 109.5° | 111.0° |
| H6 | CG1 | H7 | 109.5° | 109.5° |
| H6 | CG1 | H8 | 109.4° | 109.5° |
| H7 | CG1 | H8 | 109.5° | 109.5° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| H17 | CS | H18 | 109.5° | 109.5° |
| H17 | CS | H19 | 109.5° | 109.4° |
| H18 | CS | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 177.1° | 180.0° |
| O3 | C3 | CA3 | N3 | 147.5° | 0.0° |
| O3 | C3 | CA3 | HA31 | 90.9° | 120.0° |
| O3 | C3 | CA3 | HA32 | 26.0° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| O2 | C2 | N3 | CA3 | 1.9° | 0.1° |
| O2 | C2 | N3 | CA2 | 179.9° | 179.7° |
| O2 | C2 | N3 | C1 | 179.2° | 180.0° |
| O2 | C2 | CA2 | CB2 | 2.1° | 0.2° |
| O2 | C2 | CA2 | N2 | 179.8° | 179.8° |
| C3 | CA3 | N3 | HA31 | 121.5° | 120.0° |
| C3 | CA3 | N3 | HA32 | 121.6° | 120.0° |
| C3 | CA3 | N3 | C2 | 85.4° | 90.0° |
| C3 | CA3 | N3 | C1 | 97.9° | 90.0° |
| C3 | CA3 | HA31 | HA32 | 114.9° | 120.0° |
| CA3 | C3 | OXT | HXT | 176.8° | 180.0° |
| CA3 | N3 | C2 | C1 | 177.3° | 179.9° |
| CA3 | N3 | C2 | CA2 | 178.2° | 179.8° |
| CA3 | N3 | C1 | N2 | 178.5° | 179.9° |
| CA3 | N3 | C1 | CA1 | 2.2° | 0.2° |
| N3 | CA3 | C3 | OXT | 29.5° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 114.9° | 120.0° |
| N3 | C2 | CA2 | CB2 | 178.1° | 180.0° |
| N3 | C2 | CA2 | N2 | 0.4° | 0.4° |
| C2 | N3 | C1 | N2 | 1.3° | 0.0° |
| C2 | N3 | C1 | CA1 | 179.5° | 179.7° |
| C2 | N3 | CA3 | HA31 | 153.1° | 29.9° |
| C2 | N3 | CA3 | HA32 | 36.2° | 150.0° |
| CA2 | C2 | N3 | C1 | 0.9° | 0.2° |
| C2 | CA2 | CB2 | N2 | 177.3° | 179.5° |
| C2 | CA2 | CB2 | CG2 | 173.7° | 174.8° |
| C2 | CA2 | N2 | C1 | 0.4° | 0.5° |
| C2 | CA2 | CB2 | H12 | 6.3° | 5.2° |
| N3 | C1 | CA1 | N1 | 80.2° | 144.7° |
| N3 | C1 | N2 | CA2 | 1.1° | 0.3° |
| N3 | C1 | N2 | CA1 | 179.2° | 179.7° |
| N3 | C1 | CA1 | CB1 | 157.0° | 95.3° |
| N3 | C1 | CA1 | HA1 | 37.5° | 24.7° |
| C1 | N3 | CA3 | HA31 | 23.6° | 150.0° |
| C1 | N3 | CA3 | HA32 | 140.5° | 30.0° |
| N1 | CA1 | C1 | N2 | 100.6° | 34.9° |
| N1 | CA1 | C1 | CB1 | 122.8° | 120.0° |
| N1 | CA1 | C1 | HA1 | 117.7° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 121.2° | 120.0° |
| N1 | CA1 | CB1 | OG1 | 69.1° | 65.0° |
| N1 | CA1 | CB1 | CG1 | 54.6° | 55.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H5 | 171.9° | 175.1° |
| CA2 | CB2 | CG2 | H12 | 180.0° | 180.0° |
| CB2 | CA2 | N2 | C1 | 177.1° | 180.0° |
| CA2 | CB2 | CG2 | CD2 | 164.6° | 174.3° |
| CA2 | CB2 | CG2 | CD1 | 13.4° | 6.0° |
| N2 | CA2 | CB2 | CG2 | 3.5° | 5.7° |
| CA2 | N2 | C1 | CA1 | 179.7° | 180.0° |
| N2 | CA2 | CB2 | H12 | 176.5° | 174.3° |
| CB2 | CG2 | CD2 | CD1 | 178.1° | 179.7° |
| CB2 | CG2 | CD2 | CE2 | 178.4° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 179.0° | 180.0° |
| CB2 | CG2 | CD1 | H14 | 1.0° | 0.1° |
| CB2 | CG2 | CD2 | H15 | 1.6° | 0.0° |
| N2 | C1 | CA1 | CB1 | 22.1° | 85.1° |
| N2 | C1 | CA1 | HA1 | 141.6° | 155.0° |
| C1 | CA1 | CB1 | HA1 | 120.1° | 120.0° |
| C1 | CA1 | CB1 | OG1 | 49.7° | 55.0° |
| C1 | CA1 | CB1 | CG1 | 173.3° | 175.0° |
| C1 | CA1 | N1 | H | 180.0° | 60.0° |
| C1 | CA1 | N1 | H2 | 60.0° | 176.1° |
| C1 | CA1 | CB1 | H5 | 69.4° | 64.9° |
| CG2 | CD2 | CE2 | H15 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 3.8° | 0.1° |
| CD2 | CG2 | CD1 | CE1 | 2.9° | 0.3° |
| CD2 | CG2 | CB2 | H12 | 15.4° | 5.7° |
| CD2 | CG2 | CD1 | H14 | 177.1° | 179.8° |
| CG2 | CD2 | CE2 | H16 | 176.2° | 180.0° |
| CE2 | CD2 | CG2 | CD1 | 3.5° | 0.3° |
| CD2 | CE2 | CZ | H16 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 3.3° | 0.4° |
| CD2 | CE2 | CZ | OH | 179.9° | 180.0° |
| CA1 | CB1 | OG1 | CG1 | 125.6° | 120.0° |
| CA1 | CB1 | OG1 | H5 | 118.2° | 120.0° |
| CA1 | CB1 | CG1 | H5 | 117.1° | 120.1° |
| CB1 | CA1 | N1 | H | 57.6° | 60.0° |
| CB1 | CA1 | N1 | H2 | 177.7° | 63.9° |
| CA1 | CB1 | CG1 | H6 | 180.0° | 60.0° |
| CA1 | CB1 | CG1 | H7 | 60.0° | 180.0° |
| CA1 | CB1 | CG1 | H8 | 60.0° | 60.0° |
| CA1 | CB1 | OG1 | H9 | 180.0° | 60.1° |
| CG2 | CD1 | CE1 | H14 | 180.0° | 179.9° |
| CG2 | CD1 | CE1 | CZ | 2.6° | 0.0° |
| CG2 | CD1 | CE1 | CS | 179.2° | 180.0° |
| CD1 | CG2 | CB2 | H12 | 166.6° | 174.0° |
| CD1 | CG2 | CD2 | H15 | 176.5° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 2.7° | 0.4° |
| CE2 | CZ | CE1 | OH | 176.5° | 179.6° |
| CE2 | CZ | CE1 | CS | 179.1° | 179.7° |
| CZ | CE2 | CD2 | H15 | 176.2° | 180.0° |
| CE2 | CZ | OH | H3 | 180.0° | 90.1° |
| CD1 | CE1 | CZ | CS | 178.2° | 179.9° |
| CD1 | CE1 | CZ | OH | 179.1° | 180.0° |
| CD1 | CE1 | CS | H17 | 89.1° | 90.0° |
| CD1 | CE1 | CS | H18 | 150.9° | 150.0° |
| CD1 | CE1 | CS | H19 | 30.9° | 30.0° |
| OG1 | CB1 | CG1 | H5 | 117.0° | 119.9° |
| OG1 | CB1 | CA1 | HA1 | 169.7° | 175.0° |
| OG1 | CB1 | CG1 | H6 | 54.0° | 60.0° |
| OG1 | CB1 | CG1 | H7 | 174.1° | 60.0° |
| OG1 | CB1 | CG1 | H8 | 65.9° | 180.0° |
| CG1 | CB1 | CA1 | HA1 | 66.6° | 65.0° |
| CB1 | CG1 | H6 | H7 | 120.0° | 120.0° |
| CB1 | CG1 | H6 | H8 | 120.0° | 120.0° |
| CB1 | CG1 | H7 | H8 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | H9 | 54.4° | 60.0° |
| CZ | CE1 | CD1 | H14 | 177.4° | 179.9° |
| CE1 | CZ | CE2 | H16 | 176.7° | 179.7° |
| CZ | CE1 | CS | H17 | 89.1° | 90.1° |
| CZ | CE1 | CS | H18 | 30.9° | 29.9° |
| CZ | CE1 | CS | H19 | 150.9° | 150.0° |
| CE1 | CZ | OH | H3 | 3.6° | 90.3° |
| OH | CZ | CE1 | CS | 2.7° | 0.1° |
| OH | CZ | CE2 | H16 | 0.1° | 0.1° |
| CS | CE1 | CD1 | H14 | 0.8° | 0.0° |
| CE1 | CS | H17 | H18 | 120.0° | 120.0° |
| CE1 | CS | H17 | H19 | 120.0° | 120.0° |
| CE1 | CS | H18 | H19 | 120.0° | 120.0° |
| OXT | C3 | CA3 | HA31 | 92.0° | 60.1° |
| OXT | C3 | CA3 | HA32 | 151.1° | 60.0° |
| H | N1 | CA1 | HA1 | 62.7° | 180.0° |
| H2 | N1 | CA1 | HA1 | 57.3° | 56.0° |
| HA1 | CA1 | CB1 | H5 | 50.6° | 55.1° |
| H5 | CB1 | CG1 | H6 | 62.9° | 179.9° |
| H5 | CB1 | CG1 | H7 | 57.1° | 60.0° |
| H5 | CB1 | CG1 | H8 | 177.1° | 60.0° |
| H5 | CB1 | OG1 | H9 | 61.8° | 180.0° |
| H6 | CG1 | H7 | H8 | 120.0° | 120.1° |
| H15 | CD2 | CE2 | H16 | 3.8° | 0.1° |
| H17 | CS | H18 | H19 | 120.0° | 120.0° |
